2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide

C13H28N4O — CID 63897621

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1CN(C)CCN1C
InChIInChI=1S/C13H28N4O/c1-5-6-14-13(18)11(2)15-9-12-10-16(3)7-8-17(12)4/h11-12,15H,5-10H2,1-4H3,(H,14,18)
InChIKeySJNJODCSYDOITF-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.26
Rot. Bonds6

About 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide (PubChem CID 63897621) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
PubChem CID63897621
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1CN(C)CCN1C
InChIInChI=1S/C13H28N4O/c1-5-6-14-13(18)11(2)15-9-12-10-16(3)7-8-17(12)4/h11-12,15H,5-10H2,1-4H3,(H,14,18)
InChIKeySJNJODCSYDOITF-UHFFFAOYSA-N
XLogP-0.26
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 63897620
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
CID 114279927
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
ethyl 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpropanoate
CID 63896899
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 63898738
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide (CID 63897621) is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCC1CN(C)CCN1C.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is SJNJODCSYDOITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-5-6-14-13(18)11(2)15-9-12-10-16(3)7-8-17(12)4/h11-12,15H,5-10H2,1-4H3,(H,14,18).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide?
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 256.39 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 63897621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).